4-methanidyl-5-propan-2-yloctane

C12H25- — CID 90920919

IUPAC4-methanidyl-5-propan-2-yloctane
SMILES[CH2-]C(CCC)C(CCC)C(C)C
InChIInChI=1S/C12H25/c1-6-8-11(5)12(9-7-2)10(3)4/h10-12H,5-9H2,1-4H3/q-1
InChIKeyIMNXIJJIIVOBRK-UHFFFAOYSA-N
MW169.33 g/mol
LogP4.31
Rot. Bonds6

About 4-methanidyl-5-propan-2-yloctane

4-methanidyl-5-propan-2-yloctane (PubChem CID 90920919) has the molecular formula C12H25- and a molecular weight of 169.33 g/mol. Its IUPAC name is 4-methanidyl-5-propan-2-yloctane.

Molecular Properties

Compound Name4-methanidyl-5-propan-2-yloctane
PubChem CID90920919
Molecular FormulaC12H25-
Molecular Weight169.33 g/mol
Exact Mass169.20
IUPAC Name4-methanidyl-5-propan-2-yloctane
SMILES[CH2-]C(CCC)C(CCC)C(C)C
InChIInChI=1S/C12H25/c1-6-8-11(5)12(9-7-2)10(3)4/h10-12H,5-9H2,1-4H3/q-1
InChIKeyIMNXIJJIIVOBRK-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.33
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-propan-2-ylhexane
CID 63472075
(4S)-3-methyl-4-propan-2-ylheptane
CID 59076556
4-propan-2-yl-5-propylnonane
CID 54297700
5-propan-2-yloctan-4-ol
CID 23385171
(4S,5R)-5-propan-2-yloctan-4-ol
CID 59911289
methane;(3S,4R)-3-methyl-4-propan-2-ylheptane
CID 159506310
3-ethyl-2-methylheptan-4-ol
CID 23384905
(3S)-4-propan-2-ylheptan-3-ol
CID 59039542
(4S)-3-ethyl-2-methylheptan-4-ol
CID 59039449
5-methyl-4-propan-2-yltetradecane
CID 123996280
3,3,4-trimethyl-5-propan-2-yloctane
CID 57492714
4-methylheptane;propane
CID 142171269

Frequently Asked Questions

What is the IUPAC name of 4-methanidyl-5-propan-2-yloctane?
The IUPAC name of 4-methanidyl-5-propan-2-yloctane (CID 90920919) is 4-methanidyl-5-propan-2-yloctane.
What is the SMILES notation for 4-methanidyl-5-propan-2-yloctane?
The canonical SMILES for 4-methanidyl-5-propan-2-yloctane is [CH2-]C(CCC)C(CCC)C(C)C.
What is the InChIKey of 4-methanidyl-5-propan-2-yloctane?
The InChIKey is IMNXIJJIIVOBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25/c1-6-8-11(5)12(9-7-2)10(3)4/h10-12H,5-9H2,1-4H3/q-1.
What are the key properties of 4-methanidyl-5-propan-2-yloctane?
4-methanidyl-5-propan-2-yloctane has a molecular weight of 169.33 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanidyl-5-propan-2-yloctane is sourced from PubChem (CID 90920919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).